241 citations · 718 across the 7 of their papers we have counts for
11 papers
Resonating valence bond wave function with molecular orbitals: Application to first-row molecules
M. Marchi, S. Azadi, M. Casula +1
We introduce a method for accurate quantum chemical calculations based on a simple variational wave function, defined by a single geminal that couples all the electrons into single…
A consistent description of the iron dimer spectrum with a correlated single-determinant wave function
Michele Casula, Mariapia Marchi, Sam Azadi +1
We study the iron dimer by using an accurate ansatz for quantum chemical calculations based on a simple variational wave function, defined by a single geminal expanded in molecular…
Exact quantum Monte Carlo study of one dimensional trapped fermions with attractive contact interactions
Michele Casula, D. M. Ceperley, Erich J. Mueller
Using exact continuous quantum Monte Carlo techniques, we study the zero and finite temperature properties of a system of harmonically trapped one dimensional spin 1/2 fermions wit…
Molecular hydrogen adsorbed on benzene: insights from a quantum Monte Carlo study
Todd D. Beaudet, Michele Casula, Jeongnim Kim +2
We present a quantum Monte Carlo study of the hydrogen-benzene system where binding is very weak. We demonstrate that the binding is well described at both variational Monte Carlo…
Weak binding between two aromatic rings: feeling the van der Waals attraction by quantum Monte Carlo methods
Sandro Sorella, Michele Casula, Dario Rocca
We report a systematic study of the weak chemical bond between two benzene molecules. We first show that it is possible to obtain a very good description of the C_2 dimer and the b…
Beyond the locality approximation in the standard diffusion Monte Carlo method
Michele Casula
We present a way to include non local potentials in the standard Diffusion Monte Carlo method without using the locality approximation. We define a stochastic projection based on a…